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85122-85-6 | 2-{[4-(3-{1-[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]-4-piperidyl}propyl)piperidino]methyl}isoindoline-1,3-dione
CAS No: 85122-85-6 Catalog No: AG004O41 MDL No:MFCD00023064
Product Description
Catalog Number:
AG004O41
Chemical Name:
2-{[4-(3-{1-[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]-4-piperidyl}propyl)piperidino]methyl}isoindoline-1,3-dione
CAS Number:
85122-85-6
Molecular Formula:
C31H36N4O4
Molecular Weight:
528.6419
MDL Number:
MFCD00023064
IUPAC Name:
2-[[4-[3-[1-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-4-yl]propyl]piperidin-1-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C31H36N4O4/c36-28-24-8-1-2-9-25(24)29(37)34(28)20-32-16-12-22(13-17-32)6-5-7-23-14-18-33(19-15-23)21-35-30(38)26-10-3-4-11-27(26)31(35)39/h1-4,8-11,22-23H,5-7,12-21H2
InChI Key:
OMFFGPOWRKDUJU-UHFFFAOYSA-N
SMILES:
O=C1N(CN2CCC(CC2)CCCC2CCN(CC2)CN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
132389
Properties
Complexity:
817
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.274g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.653g/mol
Monoisotopic Mass:
528.274g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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